Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -0.3018    0.7755   -1.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762   -0.4235   -0.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066   -0.4726    0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9418   -1.2842    0.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476    0.3440    1.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3221    1.0018    2.2253 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6559    1.3121   -1.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0902    1.4792   -1.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204    0.5010   -2.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5104   -1.9055    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568   -1.3277    2.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers